Literature DB >> 16528768

Pauli repulsions exist only in the eye of the beholder.

Richard F W Bader.   

Abstract

This paper presents a rebuttal to the preceding paper in this issue entitled "Hydrogen-Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist". The arguments presented therein are based on an arbitrary partitioning of the energy into contributions from physically unrealizable states of the system. The response given here is presented in terms of the Feynman, Ehrenfest, and virial theorems of quantum mechanics and the observable properties of a system. A reader is thus free to choose between subjectivity or physics.

Entities:  

Year:  2006        PMID: 16528768     DOI: 10.1002/chem.200501589

Source DB:  PubMed          Journal:  Chemistry        ISSN: 0947-6539            Impact factor:   5.236


  14 in total

1.  Mathematical modeling and physical reality in noncovalent interactions.

Authors:  Peter Politzer; Jane S Murray; Timothy Clark
Journal:  J Mol Model       Date:  2015-02-20       Impact factor: 1.810

2.  Classical Pauli repulsion: An anisotropic, atomic multipole model.

Authors:  Joshua A Rackers; Jay W Ponder
Journal:  J Chem Phys       Date:  2019-02-28       Impact factor: 3.488

3.  The Hellmann-Feynman theorem: a perspective.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2018-08-31       Impact factor: 1.810

4.  Evidence of a long C-C attractive interaction in cerussite mineral: QTAIM and ELF analyses.

Authors:  Isaac Vidal; Antonio Sánchez Navas
Journal:  J Mol Model       Date:  2014-08-17       Impact factor: 1.810

5.  Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach.

Authors:  Hasan Karabıyık; Resul Sevinçek; Hande Petek; Muhittin Aygün
Journal:  J Mol Model       Date:  2010-09-05       Impact factor: 1.810

6.  Conformational and NMR study of some furan derivatives by DFT methods.

Authors:  David Santos-Carballal; Reynier Suardíaz; Rachel Crespo-Otero; Leandro González; Carlos S Pérez
Journal:  J Mol Model       Date:  2013-08-22       Impact factor: 1.810

7.  Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols.

Authors:  Fátima M P de Rezende; Marilua A Moreira; Rodrigo A Cormanich; Matheus P Freitas
Journal:  Beilstein J Org Chem       Date:  2012-08-02       Impact factor: 2.883

8.  Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols.

Authors:  Tânia A O Fonseca; Matheus P Freitas; Rodrigo A Cormanich; Teodorico C Ramalho; Cláudio F Tormena; Roberto Rittner
Journal:  Beilstein J Org Chem       Date:  2012-01-19       Impact factor: 2.883

9.  The activation strain model and molecular orbital theory.

Authors:  Lando P Wolters; F Matthias Bickelhaupt
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2015-05-18

10.  Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water.

Authors:  Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu
Journal:  Chem Sci       Date:  2015-01-12       Impact factor: 9.825

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